SCHEMBL7929778

SCHEMBL7929778

CCCCOc1c(F)c2c(c(F)c1Nc1ccc(C(=O)OCC)cc1)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
TP53 P04637 2/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
THRB P10828 2/20 0.43
KDM4E B2RXH2 2/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
NR4A1 P22736 1/20 0.43
HTT P42858 1/20 0.43
SMAD3 P84022 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
TSHR P16473 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
RECQL P46063 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7929952 0.96 MAPT (0.49) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7930660 0.92 STS (0.47) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7921187 0.89 MAPT (0.48) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7929768 0.89 SMN1; SMN2 (0.53) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7921400 0.87 HPGD (0.52) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7930639 0.85 HPGD (0.50) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7927180 0.85 MAPT (0.53) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7930631 0.85 SMN1; SMN2 (0.49) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7928384 0.84 MAPT (0.49) MAPTTP53MEN1KMT2AHPGD
SCHEMBL7930657 0.84 ADAMTS5 (0.43) MAPTMEN1KMT2ARAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed